CID 3707243

Flavan-3-ol

Structural Information

Molecular Formula
C15H14O2
SMILES
C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)O
InChI
InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2
InChIKey
OEIJRRGCTVHYTH-UHFFFAOYSA-N
Compound name
2-phenyl-3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

613
References

10383
Patents

226.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 148.2
[M+Na]+ 249.088598 155.4
[M-H]- 225.092104 155.0
[M+NH4]+ 244.133203 165.2
[M+K]+ 265.062538 152.2
[M+H-H2O]+ 209.096640 141.1
[M+HCOO]- 271.097581 167.3
[M+CH3COO]- 285.113231 160.6
[M+Na-2H]- 247.074046 155.9
[M]+ 226.09883142 146.0
[M]- 226.09992858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.